2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-cyclohexyl-benzamide

Systemtic Name: 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-cyclohexyl-benzamide Openeye Name: 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-cyclohexyl-benzamide CAS Name: 2-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-methylamino]-N-cyclohexylbenzamide IUPAC Name: 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioyl-methylamino]-N-cyclohexylbenzamide Traditional Name: 2-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoyl-methyl-amino]-N-cyclohexyl-benzamide Formula: C24H26ClN3O2S MolecularWeight: 456.00014

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C24H26ClN3O2S/c1-28(24(31)27-22(29)16-15-17-9-5-7-13-20(17)25)21-14-8-6-12-19(21)23(30)26-18-10-3-2-4-11-18/h5-9,12-16,18H,2-4,10-11H2,1H3,(H,26,30)(H,27,29,31)/b16-15+